N-(2-ethylpyrazol-3-yl)-2-fluoroacetamide

C7H10FN3O — CID 89187445

IUPACN-(2-ethylpyrazol-3-yl)-2-fluoroacetamide
SMILESCCn1nccc1NC(=O)CF
InChIInChI=1S/C7H10FN3O/c1-2-11-6(3-4-9-11)10-7(12)5-8/h3-4H,2,5H2,1H3,(H,10,12)
InChIKeyAVCBRGBLMASIFN-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.81
Rot. Bonds3

About N-(2-ethylpyrazol-3-yl)-2-fluoroacetamide

N-(2-ethylpyrazol-3-yl)-2-fluoroacetamide (PubChem CID 89187445) has the molecular formula C7H10FN3O and a molecular weight of 171.17 g/mol. Its IUPAC name is N-(2-ethylpyrazol-3-yl)-2-fluoroacetamide.

Molecular Properties

Compound NameN-(2-ethylpyrazol-3-yl)-2-fluoroacetamide
PubChem CID89187445
Molecular FormulaC7H10FN3O
Molecular Weight171.17 g/mol
Exact Mass171.08
IUPAC NameN-(2-ethylpyrazol-3-yl)-2-fluoroacetamide
SMILESCCn1nccc1NC(=O)CF
InChIInChI=1S/C7H10FN3O/c1-2-11-6(3-4-9-11)10-7(12)5-8/h3-4H,2,5H2,1H3,(H,10,12)
InChIKeyAVCBRGBLMASIFN-UHFFFAOYSA-N
XLogP0.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrazol-3-yl)-2-fluoroacetamide?
The IUPAC name of N-(2-ethylpyrazol-3-yl)-2-fluoroacetamide (CID 89187445) is N-(2-ethylpyrazol-3-yl)-2-fluoroacetamide.
What is the SMILES notation for N-(2-ethylpyrazol-3-yl)-2-fluoroacetamide?
The canonical SMILES for N-(2-ethylpyrazol-3-yl)-2-fluoroacetamide is CCn1nccc1NC(=O)CF.
What is the InChIKey of N-(2-ethylpyrazol-3-yl)-2-fluoroacetamide?
The InChIKey is AVCBRGBLMASIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-2-11-6(3-4-9-11)10-7(12)5-8/h3-4H,2,5H2,1H3,(H,10,12).
What are the key properties of N-(2-ethylpyrazol-3-yl)-2-fluoroacetamide?
N-(2-ethylpyrazol-3-yl)-2-fluoroacetamide has a molecular weight of 171.17 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrazol-3-yl)-2-fluoroacetamide is sourced from PubChem (CID 89187445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).